UCSF

ZINC36137061

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.94 6.05 -16.11 1 6 0 85 358.419 6
Hi High (pH 8-9.5) 2.94 6.21 -50.52 0 6 -1 87 357.411 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.